5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid

C11H6N2O5 — CID 137011543

IUPAC5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)no2)c(O)cc1O
InChIInChI=1S/C11H6N2O5/c12-4-5-1-6(9(15)3-8(5)14)10-2-7(11(16)17)13-18-10/h1-3,14-15H,(H,16,17)
InChIKeyPHMXSIPPUIPWSV-UHFFFAOYSA-N
MW246.18 g/mol
LogP1.32
Rot. Bonds2

About 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 137011543) has the molecular formula C11H6N2O5 and a molecular weight of 246.18 g/mol. Its IUPAC name is 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID137011543
Molecular FormulaC11H6N2O5
Molecular Weight246.18 g/mol
Exact Mass246.03
IUPAC Name5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)no2)c(O)cc1O
InChIInChI=1S/C11H6N2O5/c12-4-5-1-6(9(15)3-8(5)14)10-2-7(11(16)17)13-18-10/h1-3,14-15H,(H,16,17)
InChIKeyPHMXSIPPUIPWSV-UHFFFAOYSA-N
XLogP1.32
TPSA127.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963380
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-cyano-1,2-oxazole-3-carboxylic acid
CID 82418504
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(5-cyano-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117437867
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 137011543) is 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)no2)c(O)cc1O.
What is the InChIKey of 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PHMXSIPPUIPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O5/c12-4-5-1-6(9(15)3-8(5)14)10-2-7(11(16)17)13-18-10/h1-3,14-15H,(H,16,17).
What are the key properties of 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 246.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 137011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).